Assay Detail
Binding
CHEMBL921115
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Inhibition of GnRH receptor
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Gonadotropin-releasing hormone receptor (CHEMBL1855) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
The use of ligand-based de novo design for scaffold hopping and sidechain optimization: two case studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 16 | 7.29 | 9.15 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL408746 | — | — | 1 | 9.15 |
| CHEMBL21126 | — | — | 1 | 9.10 |
| CHEMBL411526 | — | — | 1 | 9.00 |
| CHEMBL260062 | — | — | 1 | 8.22 |
| CHEMBL260816 | — | — | 1 | 7.68 |
| CHEMBL22929 | — | — | 1 | 7.62 |
| CHEMBL261145 | — | — | 1 | 7.40 |
| CHEMBL335610 | — | — | 1 | 7.36 |
| CHEMBL306431 | — | — | 1 | 7.33 |
| CHEMBL405449 | — | — | 1 | 7.30 |
| CHEMBL260552 | — | — | 1 | 7.30 |
| CHEMBL172192 | — | — | 1 | 6.96 |
| CHEMBL260540 | — | — | 1 | 5.72 |
| CHEMBL260058 | — | — | 1 | 5.60 |
| CHEMBL410680 | — | — | 1 | 5.50 |
| CHEMBL263118 | — | — | 1 | 5.36 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL408746 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL21126 | — | Ki | = | 0.8 | nM | 9.10 |
| CHEMBL411526 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL260062 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL260816 | — | Ki | = | 21.0 | nM | 7.68 |
| CHEMBL22929 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL261145 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL335610 | — | Ki | = | 44.0 | nM | 7.36 |
| CHEMBL306431 | — | Ki | = | 47.0 | nM | 7.33 |
| CHEMBL405449 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL260552 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL172192 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL260540 | — | Ki | = | 1900.0 | nM | 5.72 |
| CHEMBL260058 | — | Ki | = | 2500.0 | nM | 5.60 |
| CHEMBL410680 | — | Ki | = | 3200.0 | nM | 5.50 |
| CHEMBL263118 | — | Ki | = | 4400.0 | nM | 5.36 |